Computational, spectroscopic and molecular docking investigation on a bioactive anti-cancer drug: 2-Methyl-8-nitro quinoline
A Saral, P Sudha, S Muthu, A Irfan - Journal of Molecular Structure, 2022 - Elsevier
… has studied and are correlated with theoretical electronic spectra… such as drug-likeness,
ADME, Toxicity properties are studied. … reveals that the molecule is a potent anti-cancer drug. …
ADME, Toxicity properties are studied. … reveals that the molecule is a potent anti-cancer drug. …
Spectroscopic, quantum mechanical, electronic excitation properties (Ethanol solvent), DFT investigations and molecular docking analysis of an anti-cancer drug …
PV Ramana, T Sundius, S Muthu, KC Mouli… - Journal of Molecular …, 2022 - Elsevier
… thoroughly studied by using DFT methods. The NLO characteristics of the title drug molecule
… The reactive sites and reactivity of the title drug molecule have been extensively studied …
… The reactive sites and reactivity of the title drug molecule have been extensively studied …
Investigation of pyrazoly derivatives schiff base ligands and their metal complexes used as anti-cancer drug
B Tüzün - … Acta Part A: Molecular and Biomolecular Spectroscopy, 2020 - Elsevier
… There are numerous experimental anti-cancer activities involving ligands and their …
experimental anti-cancer studies are both costly and time-consuming, molecular docking studies …
experimental anti-cancer studies are both costly and time-consuming, molecular docking studies …
Synthesis, spectroscopic characterizations, carbonic anhydrase II inhibitory activity, anticancer activity and docking studies of new Schiff bases of sulfa drugs
… The anti-cancer activities of the compounds were evaluated against the three human cancer
… can be seen as candidates for further in vivo studies for the treatment of antitumor agent. …
… can be seen as candidates for further in vivo studies for the treatment of antitumor agent. …
Spectroscopic and molecular docking studies on 1-Hydroxyanthraquinone: A potent ovarian cancer drug
T Valarmathi, R Premkumar, AMF Benial - Journal of Molecular Structure, 2020 - Elsevier
… The structural and spectroscopic studies of the HAQ molecule were carried out using DFT
… Thus, the present study paves the way for the development of novel drugs in the treatment …
… Thus, the present study paves the way for the development of novel drugs in the treatment …
Metabolic aspects of palladium (II) potential anti-cancer drugs
TJ Carneiro, AS Martins, MPM Marques… - Frontiers in oncology, 2020 - frontiersin.org
… been the target of many studies testing the anti-cancer action of Pd(… spectroscopy. We
propose that possible future developments in the context of metal complexes as anti-cancer agents…
propose that possible future developments in the context of metal complexes as anti-cancer agents…
Synthesis, characterization and anti-cancer studies of Mn (II), Cu (II), Zn (II) and Pt (II) dithiocarbamate complexes-crystal structures of the Cu (II) and Pt (II) complexes
… by elemental analyses and spectroscopic techniques. Spectroscopic studies indicate four …
In vitro cytotoxic effects of the complexes, indicative of potential anti-cancer properties, were …
In vitro cytotoxic effects of the complexes, indicative of potential anti-cancer properties, were …
… cancer cells binding behavior of p-Synephrine, a naturally occurring phenyl ethanol amine with anti-adipogenic activity: multi spectroscopic, molecular dynamic and …
R Taheri, N Hamzkanlu, Y Rezvani… - Journal of Molecular …, 2022 - Elsevier
… Therefore, any material with the ability to down regulates PI3K/AKT/m TOR signaling pathway
can be considered as a potential anti-cancer drug. In … Fluorescence spectroscopy studies …
can be considered as a potential anti-cancer drug. In … Fluorescence spectroscopy studies …
… DNA biosensor based on Eu3+− doped NiO for determination of amsacrine as an anti-cancer drug: Electrochemical, spectroscopic and docking studies
… Conducting studies on interaction of some molecules with DNA has become important for …
and drugs repositioning in the role of anti-cancer agents [1,2]. The interaction of drug with DNA …
and drugs repositioning in the role of anti-cancer agents [1,2]. The interaction of drug with DNA …
Characterization Study of Cytotoxicity of Green Synthesized ZnO Nanoparticles Loaded with Anti‐Cancer Doxorubicin Drug
R Gomathi, H Suhana, D Paradesi - ChemistrySelect, 2021 - Wiley Online Library
… Drug loading has been validated and characterized using FT-IR, UV, and Raman
spectroscopy studies. In addition, in vitro anti-cancer activity of DoX, ZnO, and ZnO-DoX has been …
spectroscopy studies. In addition, in vitro anti-cancer activity of DoX, ZnO, and ZnO-DoX has been …